2-(2-methyl-5-nitrophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-methyl-5-nitrophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione
2-(2-methyl-5-nitrophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K040-0040 |
| Compound Name: | 2-(2-methyl-5-nitrophenyl)-4-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 327.25 |
| Molecular Formula: | C15 H9 N3 O6 |
| Smiles: | Cc1ccc(cc1N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1933 |
| logD: | 2.1933 |
| logSw: | -2.7738 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.041 |
| InChI Key: | XEJRMSZTMQTMKV-UHFFFAOYSA-N |